[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol

C24H50O3Si — CID 10093261

IUPAC[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
SMILESCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C24H50O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-23(22-19-18-21(20-25)26-22)27-28(5,6)24(2,3)4/h21-23,25H,7-20H2,1-6H3/t21-,22+,23+/m0/s1
InChIKeyBLVISSWZRYFYTM-YTFSRNRJSA-N
MW414.75 g/mol
LogP7.23
Rot. Bonds15

About [(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol

[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol (PubChem CID 10093261) has the molecular formula C24H50O3Si and a molecular weight of 414.75 g/mol. Its IUPAC name is [(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
PubChem CID10093261
Molecular FormulaC24H50O3Si
Molecular Weight414.75 g/mol
Exact Mass414.35
IUPAC Name[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
SMILESCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C24H50O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-23(22-19-18-21(20-25)26-22)27-28(5,6)24(2,3)4/h21-23,25H,7-20H2,1-6H3/t21-,22+,23+/m0/s1
InChIKeyBLVISSWZRYFYTM-YTFSRNRJSA-N
XLogP7.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.75
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol (CID 10093261) is [(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol is CCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H](CO)O1.
What is the InChIKey of [(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol?
The InChIKey is BLVISSWZRYFYTM-YTFSRNRJSA-N. The full InChI is InChI=1S/C24H50O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-23(22-19-18-21(20-25)26-22)27-28(5,6)24(2,3)4/h21-23,25H,7-20H2,1-6H3/t21-,22+,23+/m0/s1.
What are the key properties of [(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol?
[(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol has a molecular weight of 414.75 g/mol, XLogP of 7.23, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol is sourced from PubChem (CID 10093261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).